N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C20H20N4O3 — CID 42939132

IUPACN-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NC(c3ccccc3)C3CC3)cnc2n(C)c1=O
InChIInChI=1S/C20H20N4O3/c1-23-17-15(19(26)24(2)20(23)27)10-14(11-21-17)18(25)22-16(13-8-9-13)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,22,25)
InChIKeyJCQRRKBZQBLLPN-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.51
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42939132) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID42939132
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NC(c3ccccc3)C3CC3)cnc2n(C)c1=O
InChIInChI=1S/C20H20N4O3/c1-23-17-15(19(26)24(2)20(23)27)10-14(11-21-17)18(25)22-16(13-8-9-13)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,22,25)
InChIKeyJCQRRKBZQBLLPN-UHFFFAOYSA-N
XLogP1.51
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 42939132) is N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NC(c3ccccc3)C3CC3)cnc2n(C)c1=O.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JCQRRKBZQBLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23-17-15(19(26)24(2)20(23)27)10-14(11-21-17)18(25)22-16(13-8-9-13)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,22,25).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42939132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).